N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine

C9H17F2NO — CID 103082752

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCCOCC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-7-4-8(5-7)12-2-3-13-6-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyKIOZDKNEHJKQCW-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.66
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine (PubChem CID 103082752) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine
PubChem CID103082752
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCCOCC(F)F)C1
InChIInChI=1S/C9H17F2NO/c1-7-4-8(5-7)12-2-3-13-6-9(10)11/h7-9,12H,2-6H2,1H3
InChIKeyKIOZDKNEHJKQCW-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine (CID 103082752) is N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine is CC1CC(NCCOCC(F)F)C1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine?
The InChIKey is KIOZDKNEHJKQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7-4-8(5-7)12-2-3-13-6-9(10)11/h7-9,12H,2-6H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 103082752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).